Numerical simulation of a device with two spin crossover complexes: application for temperature and pressure sensors

Jorge Linares (1, 2) , Salah Eddine Allal (3) , Pierre-Richard Dahoo (3) , Yann Garcia (4)

1 PUCP - Pontificia Universidad Católica del Perú = Pontifical Catholic University of Peru
2 GEMAC - Groupe d'Etude de la Matière Condensée
3 PLANETO - LATMOS
4 MOST-Chemistry - Institute of Condensed Matter and Nanosciences

The spin-crossover (SCO) phenomenon is related to the ability of a transition metal to change its spin state vs. a given perturbation. For an iron(II) SCO complexes the reversible changes involve the diamagnetic low-spin (S = 0) and the paramagnetic high-spin (HS S = 2) states [1,2,3]. In this contribution we simulate the HS Fraction (nHS) for different set values of temperature and pressure for a device using two SCO complexes with weak elastic interactions. We improve the calculation given by Linares et al. [4], taking also into account different volume (VHS, VLS) changes of the SCO. We perform all the calculation in the frame work of an Ising-like model solved in the mean-field approximation. The two SCO show in the case of "weak elastic interactions", gradual spin transitions such that both temperature and pressure values can be obtained from the optical observation in the light of calculations discussed in this article.

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Jorge Linares, Salah Eddine Allal, Pierre-Richard Dahoo, Yann Garcia. Numerical simulation of a device with two spin crossover complexes: application for temperature and pressure sensors. Journal of Physics: Conference Series, 2017, 6th International Conference on Mathematical Modelling in Physical Sciences (IC-MSQUARE 2017), 28–31 August 2017, Pafos, Cyprus, 936 (1), pp.012048. ⟨10.1088/1742-6596/936/1/012048⟩. ⟨insu-01576241⟩